MMGCSVUOGAVELI-UHFFFAOYSA-N

Name: MMGCSVUOGAVELI-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₁₅F₂NO₄S — CID 141159713

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-[[3-(difluoromethoxy)phenyl]sulfinylmethyl]-3,4-dimethoxypyridine

SMILESCOc1ccnc(CS(=O)c2cccc(OC(F)F)c2)c1OC

InChIInChI=1S/C15H15F2NO4S/c1-20-13-6-7-18-12(14(13)21-2)9-23(19)11-5-3-4-10(8-11)22-15(16)17/h3-8,15H,9H2,1-2H3

InChIKeyMMGCSVUOGAVELI-UHFFFAOYSA-N

MW343.35 g/mol

LogP3.01

Rot. Bonds7

About MMGCSVUOGAVELI-UHFFFAOYSA-N

MMGCSVUOGAVELI-UHFFFAOYSA-N (PubChem CID 141159713) has the molecular formula C₁₅H₁₅F₂NO₄S and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-[[3-(difluoromethoxy)phenyl]sulfinylmethyl]-3,4-dimethoxypyridine.

Molecular Properties

Compound Name	MMGCSVUOGAVELI-UHFFFAOYSA-N
PubChem CID	141159713
Molecular Formula	C₁₅H₁₅F₂NO₄S
Molecular Weight	343.35 g/mol
Exact Mass	343.07
IUPAC Name	2-[[3-(difluoromethoxy)phenyl]sulfinylmethyl]-3,4-dimethoxypyridine
SMILES	COc1ccnc(CS(=O)c2cccc(OC(F)F)c2)c1OC
InChI	InChI=1S/C15H15F2NO4S/c1-20-13-6-7-18-12(14(13)21-2)9-23(19)11-5-3-4-10(8-11)22-15(16)17/h3-8,15H,9H2,1-2H3
InChIKey	MMGCSVUOGAVELI-UHFFFAOYSA-N
XLogP	3.01
TPSA	57.65 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.35
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of MMGCSVUOGAVELI-UHFFFAOYSA-N?

The IUPAC name of MMGCSVUOGAVELI-UHFFFAOYSA-N (CID 141159713) is 2-[[3-(difluoromethoxy)phenyl]sulfinylmethyl]-3,4-dimethoxypyridine.

What is the SMILES notation for MMGCSVUOGAVELI-UHFFFAOYSA-N?

The canonical SMILES for MMGCSVUOGAVELI-UHFFFAOYSA-N is COc1ccnc(CS(=O)c2cccc(OC(F)F)c2)c1OC.

What is the InChIKey of MMGCSVUOGAVELI-UHFFFAOYSA-N?

The InChIKey is MMGCSVUOGAVELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO4S/c1-20-13-6-7-18-12(14(13)21-2)9-23(19)11-5-3-4-10(8-11)22-15(16)17/h3-8,15H,9H2,1-2H3.

What are the key properties of MMGCSVUOGAVELI-UHFFFAOYSA-N?

MMGCSVUOGAVELI-UHFFFAOYSA-N has a molecular weight of 343.35 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for MMGCSVUOGAVELI-UHFFFAOYSA-N is sourced from PubChem (CID 141159713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 141159713 — identifiers, structure, computed properties (public domain)

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